SCHEMBL3672142

SCHEMBL3672142

CCc1cc(C)cc(C)c1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HTT P42858 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.38
ALOX5 P09917 2/20 0.38
BACE1 P56817 1/20 0.38
ACHE P22303 1/20 0.38
ELANE P08246 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GLA P06280 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3083354 0.90 LMNA (0.47) KDM4EHTTHSD17B10TP53GAA
SCHEMBL11579831 0.89 KDM4E (0.44) KDM4EHTTHSD17B10TP53GAA
SCHEMBL28898701 0.85 ALOX5 (0.48) KDM4EHTTHSD17B10TP53GAA
SCHEMBL3156904 0.84 KDM4E (0.52) KDM4EHTTHSD17B10TP53GAA
SCHEMBL1224632 0.84 ACHE (0.41) KDM4EHTTHSD17B10GAALMNA
SCHEMBL27834366 0.84 HTT (0.42) KDM4EHTTHSD17B10TP53GAA
SCHEMBL21771928 0.83 KDM4E (0.40) KDM4EHTTHSD17B10TP53GAA
SCHEMBL27865228 0.82 LMNA (0.40) KDM4EHTTHSD17B10TP53GAA
SCHEMBL27671451 0.82 LMNA (0.40) KDM4EHTTHSD17B10TP53GAA
SCHEMBL12012725 0.82 KDM4E (0.41) KDM4EHTTHSD17B10TP53GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2218330-A1 Process for the preparation of 2-ethyl-4,6-dimethylphenyl acetic acid by reacting 2-ethyl-4,6-dimethylbromobenzene with tert.-butylacetate Bayer CropScience AG (DE) 2010-08-18 EP disclosed